Structure of PDB 5zmi Chain A Binding Site BS01

Receptor Information
>5zmi Chain A (length=178) Species: 273123 (Yersinia pseudotuberculosis IP 32953) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TAQQLKYIKDSIKTIPDYPKAGILFRDVTSLLENPKAYSASIELLSEHYS
ESGVTKVVGTEARGFLFGAPVALALGVGFVPVRKPGKLPRETISESYELE
YGTDTLEIHTDSIQPGDKVLVVDDLLATGGTIEATVKLIRRLGGEVVHAA
FIINLPELGGEARLTQQGIHCYSLVSFD
Ligand information
Ligand IDADE
InChIInChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKeyGFFGJBXGBJISGV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2[nH]cnc12
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(ncn2)N
ACDLabs 10.04n1c(c2ncnc2nc1)N
FormulaC5 H5 N5
NameADENINE
ChEMBLCHEMBL226345
DrugBankDB00173
ZINCZINC000000000882
PDB chain5zmi Chain A Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5zmi Crystal structure of adenine phosphoribosyltransferase from Yersinia pseudotuberculosis
Resolution2.05 Å
Binding residue
(original residue number in PDB)		F32 R33 L132 L162 L165
Binding residue
(residue number reindexed from 1)		F25 R26 L125 L155 L158
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R70 E107
Catalytic site (residue number reindexed from 1) R63 E100
Enzyme Commision number 2.4.2.7: adenine phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0003999 adenine phosphoribosyltransferase activity
GO:0016757 glycosyltransferase activity
Biological Process
GO:0006166 purine ribonucleoside salvage
GO:0006168 adenine salvage
GO:0009116 nucleoside metabolic process
GO:0044209 AMP salvage
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5zmi, PDBe:5zmi, PDBj:5zmi
PDBsum5zmi
PubMed
UniProtQ66DQ2|APT_YERPS Adenine phosphoribosyltransferase (Gene Name=apt)

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